%chk=000223783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223783

0 1
O 1.961348 -0.540325 1.428924
O -1.952680 0.227479 -1.272573
O 1.801284 3.427252 0.953973
O 2.449633 1.870969 -0.525446
O 3.852494 0.430739 2.203824
O -2.137206 1.931910 0.268716
O 5.657035 -0.927308 -2.705854
O 4.459359 -2.685360 -2.006617
N -0.176745 0.697886 0.017915
C 0.572355 1.418569 1.052686
C 1.140616 0.443378 2.103756
C 3.954476 -1.360972 0.518022
C 1.708496 2.195615 0.370385
C 3.341465 -0.384221 1.479095
C 4.480511 -0.601430 -0.699626
C -3.364023 0.385389 -1.645925
C -1.496145 1.047109 -0.262436
C -4.226079 -0.415965 -0.714818
C -4.621877 -1.715634 -1.060615
C -4.638281 0.139692 0.505923
C 4.814460 -1.547429 -1.812119
C -5.436890 -2.449849 -0.193875
C -5.451321 -0.598429 1.368896
C -5.853484 -1.892098 1.019010
H -0.110502 2.164576 1.573971
H 1.722859 0.970819 2.886464
H 0.338375 -0.168097 2.562301
H 0.283552 -0.086414 -0.448058
H 4.771870 -1.920687 1.024941
H 3.210726 -2.134794 0.203586
H 5.366141 0.023138 -0.436618
H 3.724056 0.144092 -1.070075
H -3.339686 -0.005874 -2.681374
H -3.617995 1.462820 -1.648416
H -4.293188 -2.157573 -2.000049
H -4.310025 1.146690 0.781586
H -5.745478 -3.458440 -0.463919
H -5.771689 -0.165238 2.315225
H -6.489338 -2.465209 1.691892
H 2.535208 3.989194 0.575422
H 5.891112 -1.507172 -3.480400


%chk=000223783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223783

0 1
O 1.377898 0.159359 0.988721
O -2.610682 1.316706 -1.031355
O 2.403752 3.859403 0.564863
O 1.913423 2.681006 -1.384741
O 3.564123 0.976632 0.959543
O -2.282014 2.002329 1.210303
O 5.996716 -2.738764 -1.714082
O 4.633928 -3.724160 -0.114127
N -0.540598 1.959388 -0.348232
C 0.453011 2.467082 0.591564
C 0.903161 1.406556 1.639690
C 3.071219 -1.306406 0.141757
C 1.644986 2.992545 -0.203551
C 2.747947 0.057678 0.717357
C 4.414829 -1.306607 -0.606555
C -4.050082 1.009398 -0.714456
C -1.843095 1.773855 0.047427
C -4.235043 -0.431665 -0.292651
C -4.545807 -1.427281 -1.253300
C -4.102056 -0.802949 1.070919
C 4.977263 -2.705299 -0.754064
C -4.716545 -2.774081 -0.862429
C -4.271938 -2.149068 1.462630
C -4.579692 -3.137211 0.497738
H 0.022033 3.297785 1.182376
H 1.696212 1.824239 2.283581
H 0.023962 1.098435 2.224440
H -0.242396 1.721339 -1.297282
H 3.112278 -2.034856 0.975661
H 2.237719 -1.635412 -0.501357
H 5.153150 -0.696922 -0.049252
H 4.334140 -0.841148 -1.603947
H -4.559915 1.228981 -1.665536
H -4.376149 1.711070 0.072316
H -4.651235 -1.146177 -2.308525
H -3.854656 -0.033348 1.810833
H -4.957719 -3.535981 -1.612039
H -4.167929 -2.427820 2.517199
H -4.713574 -4.181076 0.803451
H 3.252788 4.081427 0.096458
H 6.371385 -3.660183 -1.763646


